Basic information
- CAS
1000342-93-7- Standard SMILES
FC(F)(F)c1cc(Br)c2cc[nH]c2c1- InChIKey
GVQHXKQOACYLJU-UHFFFAOYSA-N- Molecular formula
- C9H5BrF3N
- Average molar mass
- 264.04 g/mol
- Monoisotopic mass
- 262.95574592
Names & identifiers
- Preferred name
- 4-Bromo-6-(trifluoromethyl)-1H-indole
- IUPAC
- 4-bromo-6-(trifluoromethyl)-1H-indole
- English name
- 1H-Indole, 4-broMo-6-(trifluoroMethyl)-
- Molecular formula
- C9H5BrF3N
- Molecular weight
- 264.04
Names & synonyms
4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-71H-Indole, 4-bromo-6-(trifluoromethyl)-MFCD09026955SCHEMBL2426077SCHEMBL29755364DTXSID80646642AKOS016010914DS-5736SB13950DA-39838SY099431
Show more names
4-broMo-6-trifluoroMethyl-1H indole4-bromo-6-(trifluoromethyl)-2H-indole
CS-0041318F243840
Database identifiers
- CAS
1000342-93-7- PubChem CID
- 24729231
- DTXSID
DTXSID80646642
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 298.1 · 298.1±35.0 °C(Predicted)
- Density
- 1.742 · 1.742±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.66 · 14.66±0.30(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H5BrF3N/c10-7-3-5(9(11,12)13)4-8-6(7)1-2-14-8/h1-4,14H
- InChIKey
- GVQHXKQOACYLJU-UHFFFAOYSA-N
- SMILES
- N1C2=C(C(Br)=CC(C(F)(F)F)=C2)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses1H-Indole, 4-bromo-6-(trifluoromethyl)- can be used as a research compound for its unique reactivity due to the presence of both the halogen and the highly electronegative trifluoromethyl group.
Upstream & downstream products
Upstream raw materials
Suppliers68 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
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上海策嵘生物科技有限公司[email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
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上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海群燊医药科技有限公司15316975816 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州启航生物科技有限公司18151111370
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
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西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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北京博恩康达医药科技有限公司13261021908 · [email protected]
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上海晟铱生物科技有限公司021-58957915 17721108391 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
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南京凯姆铂医药科技有限公司025-66162170
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
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郑州如科生物科技有限公司15981811963 · [email protected]
嘉兴诺华化工有限公司021-20921617 18957373295 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
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Related reactions
12 records
Compound notes
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